2-cyclopropyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one

C13H20N2O2 — CID 103240471

IUPAC2-cyclopropyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one
SMILESCC(C)CCCOc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H20N2O2/c1-9(2)4-3-7-17-12-8-11(16)14-13(15-12)10-5-6-10/h8-10H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyBZDCXQHPVMGFPM-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.46
Rot. Bonds6

About 2-cyclopropyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one

2-cyclopropyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one (PubChem CID 103240471) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-cyclopropyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one
PubChem CID103240471
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-cyclopropyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one
SMILESCC(C)CCCOc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H20N2O2/c1-9(2)4-3-7-17-12-8-11(16)14-13(15-12)10-5-6-10/h8-10H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyBZDCXQHPVMGFPM-UHFFFAOYSA-N
XLogP2.46
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-4-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one
CID 113792801
2-Cyclopropyl-6-methoxypyrimidin-4(1H)-one
CID 12945281
2-Cyclopropyl-6-ethoxypyrimidin-4(1H)-one
CID 12945284
4-Hydroxy-2-cyclopropyl-6-(tert-butoxy)pyrimidine
CID 20340377
2-cyclopropyl-4-propoxy-1H-pyrimidin-6-one
CID 12945288
4-Hydroxy-2-cyclopropyl-6-(iso-propoxy)pyrimidine
CID 12945289
6-Isopropoxy-2-isopropylpyrimidin-4(1H)-one
CID 45117357
6-Propoxy-2-propylpyrimidin-4(1H)-one
CID 45117371
2-Isopropyl-6-propoxypyrimidin-4(1H)-one
CID 45117379
2-cyclopropyl-4-octan-2-yloxy-1H-pyrimidin-6-one
CID 103240412
4-heptoxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240429
4-(2-butoxyethoxy)-2-cyclopropyl-1H-pyrimidin-6-one
CID 103240432

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one (CID 103240471) is 2-cyclopropyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one is CC(C)CCCOc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one?
The InChIKey is BZDCXQHPVMGFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)4-3-7-17-12-8-11(16)14-13(15-12)10-5-6-10/h8-10H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 2-cyclopropyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one has a molecular weight of 236.31 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).